7-methyl-7-azabicyclo[2.2.1]hept-2-ene

C7H11N — CID 534074

IUPAC7-methyl-7-azabicyclo[2.2.1]hept-2-ene
SMILESCN1C2C=CC1CC2
InChIInChI=1S/C7H11N/c1-8-6-2-3-7(8)5-4-6/h2-3,6-7H,4-5H2,1H3
InChIKeyKQQWWXIMBLYXKO-UHFFFAOYSA-N
MW109.17 g/mol
LogP1.02
Rot. Bonds

About 7-methyl-7-azabicyclo[2.2.1]hept-2-ene

7-methyl-7-azabicyclo[2.2.1]hept-2-ene (PubChem CID 534074) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 7-methyl-7-azabicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name7-methyl-7-azabicyclo[2.2.1]hept-2-ene
PubChem CID534074
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name7-methyl-7-azabicyclo[2.2.1]hept-2-ene
SMILESCN1C2C=CC1CC2
InChIInChI=1S/C7H11N/c1-8-6-2-3-7(8)5-4-6/h2-3,6-7H,4-5H2,1H3
InChIKeyKQQWWXIMBLYXKO-UHFFFAOYSA-N
XLogP1.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(8S)-7-methyl-2,3,5,8-tetrahydro-1H-pyrrolizine
CID 10964486
7-Azanorbornene
CID 143286
2-Tropene
CID 10772971
n,n-Dimethylcyclohex-2-en-1-amine
CID 258772
n,n-Diethylcyclohex-2-en-1-amine
CID 258777
2,3,5,7A-Tetrahydro-1H-pyrrolizine
CID 297607
8-Methyl-8-azabicyclo(3.2.1)oct-3-ene
CID 564942
2-Methyl-2-azabicyclo[2.2.1]hept-5-ene
CID 13875028
1-(Cyclohex-2-en-1-yl)pyrrolidine
CID 13623039
1,2,3,5,6,8a-Hexahydroindolizine
CID 17903432
N-allyl-2-azanorborn-5-ene
CID 19854919
(4S)-4-fluoro-1-methyl-2-[(E)-prop-1-enyl]pyrrolidine
CID 164921927

Frequently Asked Questions

What is the IUPAC name of 7-methyl-7-azabicyclo[2.2.1]hept-2-ene?
The IUPAC name of 7-methyl-7-azabicyclo[2.2.1]hept-2-ene (CID 534074) is 7-methyl-7-azabicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 7-methyl-7-azabicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 7-methyl-7-azabicyclo[2.2.1]hept-2-ene is CN1C2C=CC1CC2.
What is the InChIKey of 7-methyl-7-azabicyclo[2.2.1]hept-2-ene?
The InChIKey is KQQWWXIMBLYXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-8-6-2-3-7(8)5-4-6/h2-3,6-7H,4-5H2,1H3.
What are the key properties of 7-methyl-7-azabicyclo[2.2.1]hept-2-ene?
7-methyl-7-azabicyclo[2.2.1]hept-2-ene has a molecular weight of 109.17 g/mol, XLogP of 1.02, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-7-azabicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 534074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).